N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide
TL;DR: N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide (CAS 1005103-70-7) is a chemical compound with molecular formula C22H34N2O3 and molecular weight 374.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-butylacetamide
Also Known As: N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide, N-butyl-2-[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetamide, 2-[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-butylacetamide
| Molecular Formula | C22H34N2O3 |
|---|---|
| Molecular Weight | 374.26 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.25696 |
| Heavy Atoms | 27 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 1005103-70-7 |
|---|---|
| SMILES | CCCCNC(=O)CN1CCC2(CCCCC2C1C3=CC=CC=C3OC)O |
| InChIKey | DXABGEFVYGHMFF-UHFFFAOYSA-N |
Product Overview
N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide (CAS 1005103-70-7), with molecular formula C22H34N2O3 and molecular weight 374.26 g/mol. IUPAC: 2-[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-butylacetamide.
Chemical Property Profile of N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide
Property Insights of N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide
The XLogP value of 3.3 indicates that N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide. Following Lipinski's Rule of Five, N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide?
The CAS number of N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide is 1005103-70-7.
What is the molecular formula of N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide?
The molecular formula of N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide is C22H34N2O3.
What is the molecular weight of N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide?
The molecular weight of N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide is 374.26 g/mol.
Where can I buy N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide?
You can request a quote for N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.